Details of the Drug

General Information of Drug (ID: DMQW5MH)

Drug Name
Metampicillin
Synonyms
(2S,5R,6R)-3,3-dimethyl-6-{[(2R)-2-(methylideneamino)-2-phenylacetyl]amino}-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; 6beta-[(2R)-2-(methylideneamino)-2-phenylacetamido]penicillanic acid; Blomopen; Bonopen; CHEBI:52060; Celinmicina; Elatocilline; G0H6U7VSTK; METHAMPICILLIN; Magnipen; Metampicilina; Metampicillina; Metampicilline; Metampicillinum; Micinovo; Pangocilin; Probiotic; Relyothenate; Ruticina; Rutizina; Sedomycin; Suvipen; UNII-G0H6U7VSTK; Viderpen; Viderpin; Vioplex; metampicillin; metampilene
Therapeutic Class
Anti-Bacterial Agents
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 361.416
Logarithm of the Partition Coefficient (xlogp) 3
Rotatable Bond Count (rotbonds) 5
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C17H19N3O4S
IUPAC Name
(2S,5R,6R)-3,3-dimethyl-6-[[(2R)-2-(methylideneamino)-2-phenylacetyl]amino]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Canonical SMILES
CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)N=C)C(=O)O)C
InChI
InChI=1S/C17H19N3O4S/c1-17(2)12(16(23)24)20-14(22)11(15(20)25-17)19-13(21)10(18-3)9-7-5-4-6-8-9/h4-8,10-12,15H,3H2,1-2H3,(H,19,21)(H,23,24)/t10-,11-,12+,15-/m1/s1
InChIKey
FZECHKJQHUVANE-MCYUEQNJSA-N
Cross-matching ID
PubChem CID
6713928
ChEBI ID
CHEBI:52060
CAS Number
6489-97-0
DrugBank ID
DB13836
VARIDT ID
DR01338

Molecular Interaction Atlas of This Drug


Drug Transporter (DTP)
DTP Name DTP ID UniProt ID MOA REF
Peptide transporter 2 (SLC15A2) DT8QKNP S15A2_HUMAN Substrate [1]
Peptide transporter 1 (SLC15A1) DT9G7XN S15A1_HUMAN Substrate [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Transport characteristics of a novel peptide transporter 1 substrate, antihypotensive drug midodrine, and its amino acid derivatives. J Pharmacol Exp Ther. 2006 Jul;318(1):455-60.